2-dodecoxypropyl 4-[5-(4-butylphenyl)pyrimidin-2-yl]benzoate

Systemtic Name: 2-dodecoxypropyl 4-[5-(4-butylphenyl)pyrimidin-2-yl]benzoate Openeye Name: 2-dodecoxypropyl 4-[5-(4-butylphenyl)pyrimidin-2-yl]benzoate CAS Name: 4-[5-(4-butylphenyl)-2-pyrimidinyl]benzoic acid 2-dodecoxypropyl ester IUPAC Name: 2-dodecoxypropyl 4-[5-(4-butylphenyl)pyrimidin-2-yl]benzoate Traditional Name: 4-[5-(4-butylphenyl)pyrimidin-2-yl]benzoic acid 2-lauryloxypropyl ester Formula: C36H50N2O3 MolecularWeight: 558.7938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(C)COC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCCCCCCOC(C)COC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C36H50N2O3/c1-4-6-8-9-10-11-12-13-14-15-25-40-29(3)28-41-36(39)33-23-21-32(22-24-33)35-37-26-34(27-38-35)31-19-17-30(18-20-31)16-7-5-2/h17-24,26-27,29H,4-16,25,28H2,1-3H3